Language Breakdown
Lines of code distribution across 17 owned repositories
I-Shaped Developer
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Collaboration Network
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Repos
101
PRs
0
Growth
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Coding Streak
Contribution activity over the past year
Top Repositories
Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules
Fitting vdW parameters for transferable force fields to dimers using smee
Experimental fits of a double expoential force field.
QUBEKit for psi4
Development and testing the HybridTopologyFactory from OpenFE to improve dummy-core interactions
Fitting SMIRNOFF Force Fields to SPICE using SMEE
Testing out GCNN for charge and volume prediction
Calculating Modified Seminario Method Bond and Angle parameters from QCArchive
The official sources for the RDKit library
Open Source Impact
Contributions to external projects
